N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]-2-methylbenzamide Traditional Name: N-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]phenyl]-2-methyl-benzamide Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-14-5-3-4-6-19(14)21(27)24-16-9-11-17(12-10-16)25-22(28)26-18-8-7-15(2)20(23)13-18/h3-13H,1-2H3,(H,24,27)(H2,25,26,28)